For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(3,4-Dimethoxyphenyl)heptan-3-one

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(3,4-Dimethoxyphenyl)heptan-3-one
SpectraBase Compound ID BtJgAL8Y1e0
InChI InChI=1S/C15H22O3/c1-4-5-6-13(16)9-7-12-8-10-14(17-2)15(11-12)18-3/h8,10-11H,4-7,9H2,1-3H3
InChIKey OWMYBRGRNJCGGA-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F4x4TBenICI
Name 1-(3,4-Dimethoxyphenyl)heptan-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.156894565 u
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-4-5-6-13(16)9-7-12-8-10-14(17-2)15(11-12)18-3/h8,10-11H,4-7,9H2,1-3H3
InChIKey OWMYBRGRNJCGGA-UHFFFAOYSA-N
Molecular Weight 250.338 g/mol
SMILES C(CC(CCCC)=O)C1=CC(=C(C=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871803